Geometry & MOs

Info

ID:	120386
PubChem CID:	50725330
Reduced:	ClO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	548.11898
ΔH_f, kcal/mol:	-111.46
Dipole, Da:	6.95
IP(EA), eV:	-8.64(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2,6-dimethylphenyl)-1-[1-[2-chloro-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)Cl

DOS

IR

Vibrations